1G3E
BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF-BASE COPPER (II) CHELATE
Experimental procedure
| Experimental method | MONOCHROMATIC |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 106 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-08-10 |
| Detector | MACSCIENCE DIP100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.780, 63.240, 69.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.230 - 1.800 |
| R-factor | 0.169 * |
| Rwork | 0.170 |
| R-free | 0.19000 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1bty |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.327 |
| Total number of observations | 103607 * | |
| Number of reflections | 25855 | |
| <I/σ(I)> | 8.4 | 4.2 |
| Completeness [%] | 96.9 | 94.5 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.15 * | 298 | magnesium sulfate, Tris-Cl, calcium chloride, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | trypsin | 1.25 (mM) | |
| 2 | 1 | drop | magnesium sulfate | 0.3 (M) | |
| 3 | 1 | drop | 6 (mM) | ||
| 4 | 1 | drop | inhibitor | 5.0 (mM) | |
| 5 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 6 | 1 | reservoir | magnesium sulfate | 1.5 (M) | |
| 7 | 1 | reservoir | Tris-HCl | 0.1 (M) |
